Chemical ID: 6177402

c1cc(cc(c1)Cl)NC(=O)c2ccc(s2)Br
Chemical ID:
6177402
Name [?]:
5-bromo-N-(3-chlorophenyl)-thiophene-2-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)c2ccc(s2)Br
InChi [?]:
InChI=1/C11H7BrClNOS/c12-10-5-4-9(16-10)11(15)14-8-3-1-2-7(13)6-8/h1-6H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,6,2,12,13,4,5,3,11,14,9,16,7,8,10,15/rA:16nCCCCCCClNCOCCCCSBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;d11;s12;d13;s11s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7BrClNOS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.58063
Area:441.044
Solvation:-1.44547
Coulombic:-23.6833
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:316.602
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.06
LogP (Chemaxon):3.75

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